1,3-dimethyl-7-(3-methylbutyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C17H28N5O3+ MolecularWeight: 350.43592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C17H27N5O3/c1-12(2)5-6-22-13(11-21-7-9-25-10-8-21)18-15-14(22)16(23)20(4)17(24)19(15)3/h12H,5-11H2,1-4H3/p+1